Compound Detail
CHEMBL21979
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Basic Information
| ChEMBL ID | CHEMBL21979 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UKZMOMDQRPCKFB-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
16
Publications
0
Known Names
Molecular Properties
251.7
MW (Da)
1.53
ALogP
5
HBA
2
HBD
80.0
PSA (Ų)
0.79
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 4.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 4.72 | 4.595 | 19000.0 | 2 |
| Respiratory syncytial virus CHEMBL612679 | EC50 | 4.32 | 4.32 | 48000.0 | 1 |
| Influenza B virus CHEMBL613129 | EC50 | 4.25 | 4.25 | 56000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 19000.0 | nM | 4.72 | Antiviral activity against Influenza B virus B/Ned/537/05 infected in MDCK cells... | 28477572 |
| Unchecked | EC50 | = | 34000.0 | nM | 4.47 | Antiviral activity against Influenza A virus A/Virginia/ATCC3/2009(H1N1) infecte... | 28477572 |
| Respiratory syncytial virus | EC50 | = | 48000.0 | nM | 4.32 | Antiviral activity against Respiratory syncytial virus infected in human HeLa ce... | 28477572 |
| Influenza B virus | EC50 | = | 56000.0 | nM | 4.25 | Antiviral activity against Influenza B virus B/Ned/537/05 infected in MDCK cells... | 28477572 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7452676 | 10.1021/jm00185a022 | Dihydrofolate reductase | 4 |
| 28477572 | 10.1016/j.ejmech.2017.04.070 | Unchecked | 3 |
| 28477572 | 10.1016/j.ejmech.2017.04.070 | Influenza A virus | 2 |
| 28477572 | 10.1016/j.ejmech.2017.04.070 | MDCK | 2 |
| 28477572 | 10.1016/j.ejmech.2017.04.070 | Coxsackievirus B4 | 2 |
| 1895302 | 10.1021/jm00113a022 | Dihydrofolate reductase | 1 |
| 28477572 | 10.1016/j.ejmech.2017.04.070 | Influenza B virus | 1 |
| 28477572 | 10.1016/j.ejmech.2017.04.070 | Vesicular stomatitis virus | 1 |
| 28477572 | 10.1016/j.ejmech.2017.04.070 | HeLa | 1 |
| 28477572 | 10.1016/j.ejmech.2017.04.070 | Human respirovirus 3 | 1 |
| 28477572 | 10.1016/j.ejmech.2017.04.070 | Mammalian orthoreovirus 1 | 1 |
| 28477572 | 10.1016/j.ejmech.2017.04.070 | Sindbis virus | 1 |
| 28477572 | 10.1016/j.ejmech.2017.04.070 | Punta Toro virus | 1 |
| 28477572 | 10.1016/j.ejmech.2017.04.070 | Yellow fever virus | 1 |
| 28477572 | 10.1016/j.ejmech.2017.04.070 | Vero | 1 |
| 28477572 | 10.1016/j.ejmech.2017.04.070 | Respiratory syncytial virus | 1 |
Data from ChEMBL 36 via Core Engine